ChemicalBook CAS DataBase List 122-04-3

122-04-3

Name	4-Nitrobenzoyl chloride
CAS	122-04-3
EINECS(EC#)	204-517-4
Molecular Formula	C7H4ClNO3
MDL Number	MFCD00007345
Molecular Weight	185.56
MOL File	122-04-3.mol

Synonyms

4-NITROBENZOIC ACID CHLORIDE 4-NITROBENZOYL CHLORIDE LABOTEST-BB LT00077260 NITROBENZOYL-4 CHLORIDE P-NITROBENZOYL CHLORIDE 4-nitro-benzoylchlorid Benzoyl chloride, 4-nitro- Benzoyl chloride, p-nitro- Benzoylchloride,4-nitro- Nitrobenzoyl chloride, 4- p-Nitrobenzoic acid chloride p-nitrobenzoicacidchloride p-nitro-benzoylchlorid PNBC p-Nitro Benzoyl Chloride 4-Nitro Benzoyl Chloride paraNitro Benzoyl Chloride 4-NitrobenzoylChloride99% 4-Nitrobenzoyl 4-Nitrobenzoic acid chloran hydride 4-Nitrobenzenecarbonyl chloride

Chemical Properties

Appearance	yellow needles or powder
Melting point	71-74 °C (lit.)
Boiling point	202-205 °C/105 mmHg (lit.)
density	1.53
refractive index	1.5890 (estimate)
Fp	102 °C
storage temp.	Store below +30°C.
solubility	Soluble in terahydrofuran, dichloromethane, chloroform and pyridine.
form	Flakes or Crystals
color	Yellow
Odor	pungent odor
Stability:	Stable, but moisture sensitive. Combustible. Incompatible with water, alcohols, strong oxidizing agents, strong bases.
Water Solubility	Decomposes
Sensitive	Moisture Sensitive
Merck	14,6590
BRN	473192
InChI	1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
InChIKey	SKDHHIUENRGTHK-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccc(cc1)C(Cl)=O
CAS DataBase Reference	122-04-3(CAS DataBase Reference)
NIST Chemistry Reference	4-Nitrobenzoic acid chloride(122-04-3)
EPA Substance Registry System	122-04-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS05
Signal word	Danger
Hazard statements	H314
Precautionary statements	P280-P305+P351+P338-P310
Hazard Codes	C
Risk Statements	R34:Causes burns. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . less more
RIDADR	UN 3261 8/PG 2
WGK Germany	2
RTECS	DM6651000
F	9-19-21
TSCA	Yes
REACH Registrations	Active
HazardClass	8
PackingGroup	II
HS Code	29163900
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Eye Dam. 1 Met. Corr. 1 Skin Corr. 1B
Safety Profile	Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and Cl-. See also NITRO COhlPOUNDS OF AROMATIC HYDROCARBONS and CHLORIDES. less more
Toxicity	LD50 orally in Rabbit: 5600 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

Yellow needles or powder with a pungent odor.

Reactivity Profile

P-NITROBENZOYL CHLORIDE(122-04-3) is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Air & Water Reactions

Unstable in moist surroundings and should be kept in a tightly-closed container. React with water or steam .

Health Hazard

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Flash point data are not available for this chemical, but P-NITROBENZOYL CHLORIDE is combustible.

Chemical Properties

yellow needles or powder

Uses

4-Nitrobenzoyl chloride is used in the preparation of polysubstituted furanonaphthoquinoines. It is also involved in Michael addition, Henry reaction, O-alkylation and cycloaddition reactions. Further, it is employed as an intermediate in active pharmaceutical ingredient and dyes.

Uses

4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.

Purification Methods

Crystallise the acid chloride from dry pet ether (b 60-80o), *C6H6 or CCl4. Distil it under vacuum. Irritant. [Adama & Jenkins Org Synth Coll Vol I 394 1941, Beilstein 9 III 1709, 9 IV 1191.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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